CID 3042643

Brn 0523673

Structural Information

Molecular Formula
C13H21NS3
SMILES
C1CCC(CC1)CCCCN2C=CSSC2=S
InChI
InChI=1S/C13H21NS3/c15-13-14(10-11-16-17-13)9-5-4-8-12-6-2-1-3-7-12/h10-12H,1-9H2
InChIKey
IIZCNRLQDBZXGG-UHFFFAOYSA-N
Compound name
4-(4-cyclohexylbutyl)-1,2,4-dithiazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08362 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09090 155.3
[M+Na]+ 310.07284 164.8
[M+NH4]+ 305.11744 165.2
[M+K]+ 326.04678 152.1
[M-H]- 286.07634 159.7
[M+Na-2H]- 308.05829 159.7
[M]+ 287.08307 159.3
[M]- 287.08417 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.